SCHEMBL1305961

SCHEMBL1305961

COC(=O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1305962 1.00 L3MBTL1 (0.48) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1306323 0.92 KDM4E (0.47) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1306318 0.92 KDM4E (0.47) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL29525119 0.91 KDM4E (0.48) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1305792 0.91 KDM4E (0.48) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1305790 0.91 KDM4E (0.48) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1306934 0.87 L3MBTL1 (0.45) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1306936 0.87 L3MBTL1 (0.45) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1305963 0.86 KDM4E (0.45) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL17043090 0.83 P2RX3 (0.44) L3MBTL1NPC1ATMKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
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